#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000793.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2000793 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1339 _journal_page_last 1341 loop_ _publ_author_name 'Lynch, V.M.' 'Kampa, J.J.' 'Lagow, R.J.' 'Davis, B.E.' _chemical_formula_sum 'C10 H2 F12' _chemical_formula_weight 350.11 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P b c a' _symmetry_space_group_name_Hall ? _cell_length_a 9.203(3) _cell_length_b 9.81(3) _cell_length_c 12.705(6) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 1147.0(7) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 2.03 _exptl_crystal_density_meas ? _exptl_crystal_F_000 680 _exptl_absorpt_coefficient_mu 0.234 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.7107 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv C1 .0508(3) .5285(3) .1010(2) .0247(8) C2 .1113(3) .5950(3) .0141(2) .0251(8) C3 .0583(3) .5654(3) -.0854(3) .0262(9) C4 .0984(4) .5536(3) .2126(3) .0363(10) C5 .2326(4) .6974(4) .0226(3) .0418(11) F1 .0416(3) .6681(2) .2518(2) .0508(8) F2 .0550(3) .4539(2) .2779(2) .0575(9) F3 .2415(2) .5598(3) .2241(2) .0557(8) F4 .3610(2) .6399(3) .0356(2) .0629(8) F5 .2146(3) .7856(2) .1003(2) .0688(10) F6 .2461(3) .7704(3) -.0653(2) .0745(10) H3 .089(4) .598(3) -.133(3) .029(9)